SCHEMBL720487

SCHEMBL720487

Cc1c(C(Cl)C(C)C)oc2ccc(F)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKR1B1 P15121 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRP O00591 3/20 0.36
GABRD O14764 3/20 0.36
GABRA1 P14867 3/20 0.36
GABRB1 P18505 3/20 0.36
GABRG2 P18507 3/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24756449 0.84 RAB9A (0.39) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL12248495 0.83 RAB9A (0.41) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL719686 0.81 RAB9A (0.40) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL30933170 0.81 RAB9A (0.38) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL31231882 0.81 RAB9A (0.40) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL24755663 0.81 RAB9A (0.38) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL24755661 0.81 RAB9A (0.38) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL24755986 0.81 RAB9A (0.38) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL31231889 0.81 RAB9A (0.40) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL30136617 0.81 RAB9A (0.38) RAB9ANPC1MAPTCYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RAB9A 2454/4885NPC1 902/4885MAPT 4533/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RAB9A 2454/4885NPC1 902/4885MAPT 4533/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.